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Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent
In the title compound, C(32)H(28)N(2)O, the imidazolidine and pyridine rings of the central hexahydroimidazo[1,2-a]pyridine ring system adopt envelope and screw-boat conformations, respectively. The molecule exhibits two weak intramolecular π–π interactions between phenyl rings. In the crystal,...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7405580/ https://www.ncbi.nlm.nih.gov/pubmed/32844031 http://dx.doi.org/10.1107/S2056989020009871 |
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author | Naghiyev, Farid N. Mammadova, Gunay Z. Mamedov, Ibrahim G. Huseynova, Afet T. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. |
author_facet | Naghiyev, Farid N. Mammadova, Gunay Z. Mamedov, Ibrahim G. Huseynova, Afet T. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. |
author_sort | Naghiyev, Farid N. |
collection | PubMed |
description | In the title compound, C(32)H(28)N(2)O, the imidazolidine and pyridine rings of the central hexahydroimidazo[1,2-a]pyridine ring system adopt envelope and screw-boat conformations, respectively. The molecule exhibits two weak intramolecular π–π interactions between phenyl rings. In the crystal, molecules are linked via pairs of C—H⋯ O hydrogen bonds, forming inversion dimers. The dimers are further linked by pairs of C—H⋯π interactions, forming infinite chains along the c-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (73.4%), C⋯H/H⋯C (18.8%) and O⋯H/H⋯O (5.7%) contacts. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. The solvent contribution was not included in the reported molecular weight and density. |
format | Online Article Text |
id | pubmed-7405580 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-74055802020-08-24 Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent Naghiyev, Farid N. Mammadova, Gunay Z. Mamedov, Ibrahim G. Huseynova, Afet T. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(32)H(28)N(2)O, the imidazolidine and pyridine rings of the central hexahydroimidazo[1,2-a]pyridine ring system adopt envelope and screw-boat conformations, respectively. The molecule exhibits two weak intramolecular π–π interactions between phenyl rings. In the crystal, molecules are linked via pairs of C—H⋯ O hydrogen bonds, forming inversion dimers. The dimers are further linked by pairs of C—H⋯π interactions, forming infinite chains along the c-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (73.4%), C⋯H/H⋯C (18.8%) and O⋯H/H⋯O (5.7%) contacts. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. The solvent contribution was not included in the reported molecular weight and density. International Union of Crystallography 2020-07-24 /pmc/articles/PMC7405580/ /pubmed/32844031 http://dx.doi.org/10.1107/S2056989020009871 Text en © Naghiyev et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Naghiyev, Farid N. Mammadova, Gunay Z. Mamedov, Ibrahim G. Huseynova, Afet T. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent |
title | Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent |
title_full | Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent |
title_fullStr | Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent |
title_short | Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent |
title_sort | crystal structure and hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7405580/ https://www.ncbi.nlm.nih.gov/pubmed/32844031 http://dx.doi.org/10.1107/S2056989020009871 |
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